(4S)-4-({3-[2-(Dimethylnitroryl)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one | CAS No. 251451-30-6

(4S)-4-({3-[2-(Dimethylnitroryl)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one

Basic Information

CAS Number

251451-30-6

Molecular Formula

C16H21N3O3

Molecular Weight

303.36 g/mol

AD

Basic Physical Properties

Melting Point

>185°C (dec.)

C[N+](C)(CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3)[O-]

InChI

InChI=1S/C16H21N3O3/c1-19(2,21)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-22-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1

InChIKey

GZYCQRZFJIZOKU-ZDUSSCGKSA-N

LogP

2.28520

Complexity

415

Synonyms & References

English

  • N,N-dimethyl-2-[5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1H-indol-3-yl]ethanamine Oxide
  • J-015837
  • FT-0675920
  • 2-Oxazolidinone, 4-[[3-[2-(dimethyloxidoamino)ethyl]-1H-indol-5-yl]methyl]-, (4S)-
  • AKOS030255659
  • DTXSID00438344
  • 251451-30-6
  • N, N-dimethyl-2-[5-[(2-oxo-1, 3-oxazolidin-4-yl)methyl]-1H-indol-3-yl]ethanamine oxide
  • Zolmitriptan N-Oxide
  • (S)-N,N-Dimethyl-2-(5-((2-oxooxazolidin-4-yl)methyl)-1H-indol-3-yl)ethanamine oxide
  • 2-Oxazolidinone,4-[[3-[2-(dimethyloxidoamino)ethyl]-1H-indol-5-yl]methyl]-, (4S)-
  • N,N-dimethyl-2-[5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1H-indol-3-yl]ethanamine oxide
  • (4S)-4-[[3-[2-(Dimethyloxidoamino)ethyl]-1H-indol-5-yl]methyl-2-oxazolidinone
  • (4S)-4-[[3-[2-(Dimethyloxidoamino)ethyl]-1H-indol-5-yl]methyl]-2-oxazolidinone
  • (S)-N,N-Dimethyl-2-{5-[(2-oxooxazolidin-4-yl)methyl]-1H-indol-3-yl}ethanamine oxide
  • (S)-N,N-dimethyl-2-(5-((2-oxooxazolidin-4-yl)methyl)-1H-indol-3-yl)ethan-1-amine oxide

MDL Number

MFCD09952300

Customs Code

2934999090

FAQ

What are the physical and chemical properties of (4S)-4-({3-[2-(Dimethylnitroryl)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one (CAS: 251451-30-6)?

The compound has a crystalline form with a molecular weight of approximately 422.35 g/mol. It has low water solubility but good solubility in organic solvents. Chemically, it exhibits moderate reactivity, especially towards nucleophiles. It is stable under basic conditions but can undergo hydrolysis under acidic conditions.

How is (4S)-4-({3-[2-(Dimethylnitroryl)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one (CAS: 251451-30-6) typically synthesized?

The compound is typically synthesized via a multi-step process involving condensation reactions, alkylations, and derivatizations. Commonly, it involves the use of indole derivatives and dimethylnitroryl-containing reagents. The synthesis yields are generally around 70-80%, and the reaction conditions require controlled temperature and pH to ensure selectivity.

What industries use (4S)-4-({3-[2-(Dimethylnitroryl)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one (CAS: 251451-30-6)?

This compound is primarily used in the pharmaceutical industry for drug development and synthesis of complex molecules. It may also find applications in the polymer industry for modifying polymer properties and in the sensor industry for developing chemical sensors.

What precautions should be taken when handling (4S)-4-({3-[2-(Dimethylnitroryl)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one (CAS: 251451-30-6)?

When handling this compound, proper personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. It should be handled in a well-ventilated fume hood to minimize exposure. Spills should be cleaned up immediately with appropriate absorbent materials and disposed of according to local regulations. Safety data sheets (SDS) should be consulted for detailed handling information.

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